N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide

C17H20N4O2 — CID 136578895

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccccc2-n2ccnc2)CC1=O
InChIInChI=1S/C17H20N4O2/c1-20-8-6-13(10-16(20)22)17(23)19-11-14-4-2-3-5-15(14)21-9-7-18-12-21/h2-5,7,9,12-13H,6,8,10-11H2,1H3,(H,19,23)
InChIKeyAFISGBSHTBKTTM-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.36
Rot. Bonds4

About N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide

N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 136578895) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID136578895
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccccc2-n2ccnc2)CC1=O
InChIInChI=1S/C17H20N4O2/c1-20-8-6-13(10-16(20)22)17(23)19-11-14-4-2-3-5-15(14)21-9-7-18-12-21/h2-5,7,9,12-13H,6,8,10-11H2,1H3,(H,19,23)
InChIKeyAFISGBSHTBKTTM-UHFFFAOYSA-N
XLogP1.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 60574514
1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 91841223
(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187
(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 46772253
N-[(2-imidazol-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 92672066
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
N-[(2-imidazol-1-ylphenyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50983614
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30390230
(3R)-N-[(2-imidazol-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019817
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 136578895) is N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)NCc2ccccc2-n2ccnc2)CC1=O.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is AFISGBSHTBKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-8-6-13(10-16(20)22)17(23)19-11-14-4-2-3-5-15(14)21-9-7-18-12-21/h2-5,7,9,12-13H,6,8,10-11H2,1H3,(H,19,23).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 136578895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).